CDK     0521202330

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.7113   -3.5051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0066   -1.6543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6740   -2.1392    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0534   -5.0124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4191   -2.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4059   -2.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9040   -3.5913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6609   -2.1392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0066   -0.8293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8908   -3.5913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5684   -4.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7245   -3.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7211   -0.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2094   -4.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7211    0.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4355   -0.8293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8739   -4.9262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4355    0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500   -0.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500    0.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0 
  2  3  1  0  0  0  0 
  2  8  1  0  0  0  0 
  2  9  1  0  0  0  0 
  3  5  2  0  0  0  0 
  4 11  2  0  0  0  0 
  4 17  1  0  0  0  0 
  5  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  6  8  2  0  0  0  0 
  6 10  1  0  0  0  0 
  7 11  1  0  0  0  0 
  7 12  2  0  0  0  0 
  9 13  1  0  0  0  0 
 12 14  1  0  0  0  0 
 13 15  2  0  0  0  0 
 13 16  1  0  0  0  0 
 14 17  2  0  0  0  0 
 15 18  1  0  0  0  0 
 16 19  2  0  0  0  0 
 18 20  2  0  0  0  0 
 19 20  1  0  0  0  0 
M  END
> <ID>
CHEBI:149826

> <NAME>
1-Benzyl-3-pyridin-3-yl-1H-pyrazole-4-carbaldehyde

> <STAR>
2

> <FORMULA>
C16H13N3O

> <MASS>
263.300

> <MONOISOTOPIC_MASS>
263.10586

> <CHARGE>
0

> <SMILES>
O=CC=1C(=NN(C1)CC2=CC=CC=C2)C=3C=NC=CC3

> <INCHI>
InChI=1S/C16H13N3O/c20-12-15-11-19(10-13-5-2-1-3-6-13)18-16(15)14-7-4-8-17-9-14/h1-9,11-12H,10H2

> <INCHIKEY>
WLALNLLKMJDSEF-UHFFFAOYSA-N

$$$$